SCHEMBL25075229

SCHEMBL25075229

CC(C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26173142 0.93 HRH3 (0.48) HRH3KCNH2CYP2D6CHRM2CHRM1
SCHEMBL25107536 0.91 MEN1 (0.46) CHRM2CHRM1CYP2C19CYP3A4MEN1
SCHEMBL10098673 0.84 L3MBTL3 (0.48) HRH3CHRM2CHRM1CYP2C19CYP3A4
SCHEMBL25075011 0.84 HRH3 (0.46) HRH3KCNH2CYP2D6CYP2C19L3MBTL3
SCHEMBL25075389 0.84 CHRNB2 (0.46) HRH3KCNH2CYP2D6
SCHEMBL18251701 0.84 CYP3A4 (0.52) CHRM1CYP2C19CYP3A4L3MBTL3L3MBTL1
SCHEMBL15504825 0.83 MTNR1A (0.43) HRH3KCNH2CHRM2CHRM1CYP2C19
SCHEMBL25628516 0.83 CHRM1 (0.40) CHRM2CHRM1CYP2C19CYP3A4MEN1
SCHEMBL25628460 0.83 L3MBTL3 (0.47) HRH3CHRM2CHRM1CYP2C19CYP3A4
SCHEMBL12396446 0.82 CYP3A4 (0.55) CHRM1CYP2C19CYP3A4MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. 2023-05-04 US disclosed
WO-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES CDK6, CDK4, CDK1 HRH3 2877/4885KCNH2 4819/4885CYP2D6 618/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN HRH3 3222/4885KCNH2 4681/4885CYP2D6 3924/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.